Warpgroup is an R package for processing chromatography-mass spectrometry data (or general time series data). Warpgroup implements:
Warpgroup is available as an R package on GitHub: nathaniel-mahieu/warpgroup.
library(warpgroup) warpgroup.bounds = warpgroup(peak.bounds, eic.matrix, sc.aligned.lim = 8)
Toy data and more examples can be found in the GitHub repository. nathaniel-mahieu/warpgroup
Mahieu NG, Spalding JL, Patti GJ
Warpgroup: Increased Precision of Metabolomic Data Processing by Consensus Integration Bound Analysis
Bioinformatics, 32(2), 268-275, 2016
Data supporting the publication can be downloaded from here. It includes 22 datasets, 11 HILIC and 11 reverse phase. Supporting Data